N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide

C20H30N2O4 — CID 55951561

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O4/c1-25-17-9-11-18(12-10-17)26-15-5-8-19(23)21-14-13-20(24)22-16-6-3-2-4-7-16/h9-12,16H,2-8,13-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyXRHAMVPZFBTZFQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.81
Rot. Bonds10

About N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 55951561) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
PubChem CID55951561
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O4/c1-25-17-9-11-18(12-10-17)26-15-5-8-19(23)21-14-13-20(24)22-16-6-3-2-4-7-16/h9-12,16H,2-8,13-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyXRHAMVPZFBTZFQ-UHFFFAOYSA-N
XLogP2.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 134001401
N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 8713321
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
N-cyclohexyl-3-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111183146
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
CID 72894420
[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147385
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide (CID 55951561) is N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is XRHAMVPZFBTZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-17-9-11-18(12-10-17)26-15-5-8-19(23)21-14-13-20(24)22-16-6-3-2-4-7-16/h9-12,16H,2-8,13-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 362.47 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 55951561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).